(Q6108575)

Avarofloxacin (English)

13 October 2016

chemical formula

C₂₁H₂₃F₂N₃O₄

1 reference

Avarofloxacin (English)

13 October 2016

canonical SMILES

COC1=C2C(=CC(=C1N3CCCC(=C(CN)F)C3)F)C(=O)C(=CN2C4CC4)C(=O)O

1 reference

Avarofloxacin (English)

13 October 2016

isomeric SMILES

COC1=C2C(=CC(=C1N3CCC/C(=C(/CN)\F)/C3)F)C(=O)C(=CN2C4CC4)C(=O)O

1 reference

Avarofloxacin (English)

InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+

13 October 2016

Identifiers

InChI

1 reference

Avarofloxacin (English)

13 October 2016

1 reference

Global Substance Registration System

Avarofloxacin (English)

13 October 2016

2 references

UNII

070SV15RJA

acorafloxacin (English)

13 October 2016

https://commonchemistry.cas.org/detail?cas_rn=878592-87-1

8 April 2021

1 reference

Acorafloxacin (English)

13 October 2016

2 references

Avarofloxacin (English)

13 October 2016

ChEBI ID

229847

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

AVAROFLOXACIN (English)

13 October 2016

1 reference

2 references

DSSTOX compound identifier

DTXCID50159158

0 references

Guide to Pharmacology Ligand ID

10753

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

2 references

Global Substance Registration System

UNII

070SV15RJA

acorafloxacin (English)

13 October 2016